[(1S)-2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [(1S)-2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-methylpyrrole-2-carboxylate Openeye Name: [(1S)-2-(3-chloro-4-methyl-anilino)-2-oxo-1-phenyl-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [(1S)-2-(3-chloro-4-methyl-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CN3C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC=CN3C)Cl

InChI

InChI=1S/C21H19ClN2O3/c1-14-10-11-16(13-17(14)22)23-20(25)19(15-7-4-3-5-8-15)27-21(26)18-9-6-12-24(18)2/h3-13,19H,1-2H3,(H,23,25)/t19-/m0/s1